Task 38658540
| Name | test_305-GPUGRID_TEST_ATM_2STEP_20261024-1-2-RND6005_0 |
| Workunit | 31602121 |
| Created | 24 Oct 2026, 12:47:12 UTC |
| Sent | 24 Oct 2026, 12:55:01 UTC |
| Report deadline | 29 Oct 2026, 12:55:01 UTC |
| Received | 26 Oct 2026, 9:59:39 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 608883 |
| Run time | 21 min 24 sec |
| CPU time | 20 min 25 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 30,871.08 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 771.53 MB |
| Peak swap size | 8.43 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:55:46 (25848): wrapper (7.9.26016): starting
08:55:46 (25848): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
08:55:50 (25848): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:55:50 (25848): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
WARNING: The script pyaml.exe is installed in 'D:\ProgramData\BOINC\slots\1\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'D:\ProgramData\BOINC\slots\1\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835319} normal block at 0x00000261BB90DD30, 8 bytes long.
Data: < a > 00 00 CD BB 61 02 00 00
..\lib\diagnostics_win.cpp(417) : {3834092} normal block at 0x00000261BD81E400, 1080 bytes long.
Data: < ) , > B0 29 00 00 CD CD CD CD 2C 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {321} normal block at 0x00000261BB912ED0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
09:30:30 (33060): wrapper (7.9.26016): starting
09:30:30 (33060): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ƒTƒuƒfƒBƒŒƒNƒgƒŠ‚Ü‚½‚̓tƒ@ƒCƒ‹ D:\ProgramData\BOINC\slots\1\tmp ‚ÍŠù‚É‘¶Ý‚µ‚Ü‚·B
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1541} normal block at 0x000002206C326A30, 8 bytes long.
Data: < -l > 00 00 2D 6C 20 02 00 00
..\lib\diagnostics_win.cpp(417) : {314} normal block at 0x000002206C327410, 1080 bytes long.
Data: < ` > DC D3 00 00 CD CD CD CD 60 01 00 00 00 00 00 00
Object dump complete.
10:13:27 (19588): wrapper (7.9.26016): starting
10:13:27 (19588): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ƒTƒuƒfƒBƒŒƒNƒgƒŠ‚Ü‚½‚̓tƒ@ƒCƒ‹ D:\ProgramData\BOINC\slots\1\tmp ‚ÍŠù‚É‘¶Ý‚µ‚Ü‚·B
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1541} normal block at 0x000001EBD0A06790, 8 bytes long.
Data: < > 00 00 F5 D0 EB 01 00 00
..\lib\diagnostics_win.cpp(417) : {314} normal block at 0x000001EBD0A07440, 1080 bytes long.
Data: <|! P > 7C 21 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
12:48:24 (45928): wrapper (7.9.26016): starting
12:48:24 (45928): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ƒTƒuƒfƒBƒŒƒNƒgƒŠ‚Ü‚½‚̓tƒ@ƒCƒ‹ D:\ProgramData\BOINC\slots\1\tmp ‚ÍŠù‚É‘¶Ý‚µ‚Ü‚·B
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1541} normal block at 0x000002D3C22061C0, 8 bytes long.
Data: < > 00 00 1A C2 D3 02 00 00
..\lib\diagnostics_win.cpp(417) : {314} normal block at 0x000002D3C2207410, 1080 bytes long.
Data: < G , > 20 47 00 00 CD CD CD CD 2C 01 00 00 00 00 00 00
Object dump complete.
13:09:39 (29988): wrapper (7.9.26016): starting
13:09:39 (29988): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ƒTƒuƒfƒBƒŒƒNƒgƒŠ‚Ü‚½‚̓tƒ@ƒCƒ‹ D:\ProgramData\BOINC\slots\1\tmp ‚ÍŠù‚É‘¶Ý‚µ‚Ü‚·B
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1541} normal block at 0x000001C249646140, 8 bytes long.
Data: < `I > 00 00 60 49 C2 01 00 00
..\lib\diagnostics_win.cpp(417) : {314} normal block at 0x000001C249647430, 1080 bytes long.
Data: <$ d > 24 A8 00 00 CD CD CD CD 64 01 00 00 00 00 00 00
Object dump complete.
15:24:17 (41760): wrapper (7.9.26016): starting
15:24:17 (41760): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ƒTƒuƒfƒBƒŒƒNƒgƒŠ‚Ü‚½‚̓tƒ@ƒCƒ‹ D:\ProgramData\BOINC\slots\1\tmp ‚ÍŠù‚É‘¶Ý‚µ‚Ü‚·B
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1541} normal block at 0x000001BF94656380, 8 bytes long.
Data: < b > 00 00 62 94 BF 01 00 00
..\lib\diagnostics_win.cpp(417) : {314} normal block at 0x000001BF94655710, 1080 bytes long.
Data: <t P > 74 A4 00 00 CD CD CD CD 50 01 00 00 00 00 00 00
Object dump complete.
16:10:30 (15516): wrapper (7.9.26016): starting
16:10:30 (15516): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ƒTƒuƒfƒBƒŒƒNƒgƒŠ‚Ü‚½‚̓tƒ@ƒCƒ‹ D:\ProgramData\BOINC\slots\1\tmp ‚ÍŠù‚É‘¶Ý‚µ‚Ü‚·B
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1541} normal block at 0x00000269687B60A0, 8 bytes long.
Data: < shi > 00 00 73 68 69 02 00 00
..\lib\diagnostics_win.cpp(417) : {314} normal block at 0x00000269687B7430, 1080 bytes long.
Data: <|= h > 7C 3D 00 00 CD CD CD CD 68 01 00 00 00 00 00 00
Object dump complete.
18:48:48 (23592): wrapper (7.9.26016): starting
18:48:48 (23592): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ƒTƒuƒfƒBƒŒƒNƒgƒŠ‚Ü‚½‚̓tƒ@ƒCƒ‹ D:\ProgramData\BOINC\slots\1\tmp ‚ÍŠù‚É‘¶Ý‚µ‚Ü‚·B
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
18:58:43 (23592): C:/Windows/system32/cmd.exe exited; CPU time 502.765625
18:58:43 (23592): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 20216708 bytes.
Dumping objects ->
{1629} normal block at 0x000002506DCA0DF0, 48 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{1618} normal block at 0x000002506DCA0CA0, 48 bytes long.
Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{1607} normal block at 0x000002506DCA0FB0, 48 bytes long.
Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61
{1596} normal block at 0x000002506DCA0E60, 48 bytes long.
Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{1585} normal block at 0x000002506DCA0D80, 48 bytes long.
Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61
{1554} normal block at 0x000002506DC997B0, 64 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {1541} normal block at 0x000002506DCA6070, 8 bytes long.
Data: < nP > 00 00 1E 6E 50 02 00 00
{315} normal block at 0x000002506DCA6BB0, 8 bytes long.
Data: < t mP > 00 74 CA 6D 50 02 00 00
{306} normal block at 0x000002506DC966A0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{305} normal block at 0x000002506DCA6020, 16 bytes long.
Data: < s mP > 08 73 CA 6D 50 02 00 00 00 00 00 00 00 00 00 00
{304} normal block at 0x000002506DCA6D90, 16 bytes long.
Data: < r mP > E0 72 CA 6D 50 02 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x000002506DCA0200, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{302} normal block at 0x000002506DCA6480, 16 bytes long.
Data: < r mP > B8 72 CA 6D 50 02 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x000002506DCA6E80, 16 bytes long.
Data: < r mP > 90 72 CA 6D 50 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000002506DCA6CF0, 16 bytes long.
Data: <hr mP > 68 72 CA 6D 50 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000002506DCA6700, 16 bytes long.
Data: <@r mP > 40 72 CA 6D 50 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000002506DCA0C30, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{297} normal block at 0x000002506DCA6660, 16 bytes long.
Data: <8 mP > 38 BB C8 6D 50 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000002506DC9FFC0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{295} normal block at 0x000002506DCA66B0, 16 bytes long.
Data: < mP > 10 BB C8 6D 50 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002506DCA6B60, 16 bytes long.
Data: < mP > E8 BA C8 6D 50 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002506DCA6CA0, 16 bytes long.
Data: < mP > C0 BA C8 6D 50 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002506DCA67F0, 16 bytes long.
Data: < mP > 98 BA C8 6D 50 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002506DCA6430, 16 bytes long.
Data: <p mP > 70 BA C8 6D 50 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002506DCA6A20, 16 bytes long.
Data: <H mP > 48 BA C8 6D 50 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002506DCA02C0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{287} normal block at 0x000002506DCA6D40, 16 bytes long.
Data: < mP > 20 BA C8 6D 50 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002506DC8BA20, 320 bytes long.
Data: <@m mP mP > 40 6D CA 6D 50 02 00 00 C0 02 CA 6D 50 02 00 00
{285} normal block at 0x000002506DCA6F20, 16 bytes long.
Data: < r mP > 20 72 CA 6D 50 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002506DCA69D0, 16 bytes long.
Data: < q mP > F8 71 CA 6D 50 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002506DC9F9C0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{282} normal block at 0x000002506DCA6250, 16 bytes long.
Data: < q mP > D0 71 CA 6D 50 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002506DC9FE40, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{280} normal block at 0x000002506DCA6B10, 16 bytes long.
Data: < q mP > 18 71 CA 6D 50 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002506DCA6520, 16 bytes long.
Data: < p mP > F0 70 CA 6D 50 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002506DCA6DE0, 16 bytes long.
Data: < p mP > C8 70 CA 6D 50 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002506DCA6AC0, 16 bytes long.
Data: < p mP > A0 70 CA 6D 50 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002506DCA6F70, 16 bytes long.
Data: <xp mP > 78 70 CA 6D 50 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002506DCA6E30, 16 bytes long.
Data: <Pp mP > 50 70 CA 6D 50 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002506DCA6A70, 16 bytes long.
Data: < mP > C0 0B CA 6D 50 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002506DCA0BC0, 40 bytes long.
Data: <pj mP mP > 70 6A CA 6D 50 02 00 00 B0 97 C9 6D 50 02 00 00
{271} normal block at 0x000002506DCA6610, 16 bytes long.
Data: <0p mP > 30 70 CA 6D 50 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002506DCA6750, 16 bytes long.
Data: < p mP > 08 70 CA 6D 50 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002506DC9FD80, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{268} normal block at 0x000002506DCA6570, 16 bytes long.
Data: < o mP > E0 6F CA 6D 50 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002506DCA6FE0, 992 bytes long.
Data: <pe mP mP > 70 65 CA 6D 50 02 00 00 80 FD C9 6D 50 02 00 00
{103} normal block at 0x000002506DC9F960, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{102} normal block at 0x000002506DC9E680, 16 bytes long.
Data: < mP > 00 0A CA 6D 50 02 00 00 00 00 00 00 00 00 00 00
{101} normal block at 0x000002506DCA0A00, 40 bytes long.
Data: < mP ` mP > 80 E6 C9 6D 50 02 00 00 60 F9 C9 6D 50 02 00 00
{78} normal block at 0x000002506DC9DD70, 16 bytes long.
Data: < #k > 80 EA 23 6B F7 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x000002506DC9E720, 16 bytes long.
Data: <@ #k > 40 E9 23 6B F7 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x000002506DC9E810, 16 bytes long.
Data: < W k > F8 57 20 6B F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x000002506DC9DE60, 16 bytes long.
Data: < W k > D8 57 20 6B F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000002506DC9D960, 16 bytes long.
Data: <P k > 50 04 20 6B F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000002506DC9DB90, 16 bytes long.
Data: <0 k > 30 04 20 6B F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000002506DC9E590, 16 bytes long.
Data: < k > E0 02 20 6B F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002506DC9DAF0, 16 bytes long.
Data: < k > 10 04 20 6B F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002506DC9E540, 16 bytes long.
Data: <p k > 70 04 20 6B F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002506DC9DBE0, 16 bytes long.
Data: < k > 18 C0 1E 6B F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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